2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide

C16H18N4O — CID 61021913

IUPAC2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C16H18N4O/c1-9-10(2)19-15-5-4-12(6-14(9)15)16(21)17-7-13-8-18-20-11(13)3/h4-6,8,19H,7H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyBCQGCLVQLBEEBE-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.75
Rot. Bonds3

About 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide

2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide (PubChem CID 61021913) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
PubChem CID61021913
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C16H18N4O/c1-9-10(2)19-15-5-4-12(6-14(9)15)16(21)17-7-13-8-18-20-11(13)3/h4-6,8,19H,7H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyBCQGCLVQLBEEBE-UHFFFAOYSA-N
XLogP2.75
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide
CID 115630320
2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 60778936
2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 2576679
2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide
CID 103939765
2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 103775042
3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896754
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998598
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81421879
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 146109328

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide (CID 61021913) is 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide is Cc1[nH]ncc1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide?
The InChIKey is BCQGCLVQLBEEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-9-10(2)19-15-5-4-12(6-14(9)15)16(21)17-7-13-8-18-20-11(13)3/h4-6,8,19H,7H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide?
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 61021913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).